3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one

C20H22O3 — CID 156772297

IUPAC3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one
SMILESCOc1cccc(C2Cc3c(C(C)C)ccc(C)c3OC2=O)c1
InChIInChI=1S/C20H22O3/c1-12(2)16-9-8-13(3)19-18(16)11-17(20(21)23-19)14-6-5-7-15(10-14)22-4/h5-10,12,17H,11H2,1-4H3
InChIKeyZLMNHGBOFNJACO-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.37
Rot. Bonds3

About 3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one

3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one (PubChem CID 156772297) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one
PubChem CID156772297
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one
SMILESCOc1cccc(C2Cc3c(C(C)C)ccc(C)c3OC2=O)c1
InChIInChI=1S/C20H22O3/c1-12(2)16-9-8-13(3)19-18(16)11-17(20(21)23-19)14-6-5-7-15(10-14)22-4/h5-10,12,17H,11H2,1-4H3
InChIKeyZLMNHGBOFNJACO-UHFFFAOYSA-N
XLogP4.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one?
The IUPAC name of 3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one (CID 156772297) is 3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one?
The canonical SMILES for 3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one is COc1cccc(C2Cc3c(C(C)C)ccc(C)c3OC2=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one?
The InChIKey is ZLMNHGBOFNJACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-12(2)16-9-8-13(3)19-18(16)11-17(20(21)23-19)14-6-5-7-15(10-14)22-4/h5-10,12,17H,11H2,1-4H3.
What are the key properties of 3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one?
3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one has a molecular weight of 310.39 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 156772297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).